SCHEMBL10129253

SCHEMBL10129253

C=CCc1c(-c2ccc(F)cc2)nc(N(C)C)nc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.45
HMGCR P04035 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDE6D O43924 1/20 0.39
NR1I2 O75469 1/20 0.39
PDE4D Q08499 1/20 0.39
AKT1 P31749 2/20 0.39
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL526672 0.86 HMGCR (0.55) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10129522 0.84 GCGR (0.57) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10129495 0.83 GCGR (0.43) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL20146246 0.83 GCGR (0.43) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL20146255 0.81 GCGR (0.41) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL526597 0.80 GCGR (0.45) GCGR
SCHEMBL10129494 0.78 GCGR (0.46) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10129544 0.78 KDM5B (0.41) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10434301 0.78 GCGR (0.41) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10129501 0.77 HMGCR (0.38) GCGRHMGCRALDH1A1CYP3A4PDE6D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 EP disclosed
EP-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 EP disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 WO disclosed